7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C20H18N2O2S — CID 135439008

IUPAC7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2ccccc2)c2ccccc2)c(O)nc2n1CCCS2
InChIInChI=1S/C20H18N2O2S/c23-18-17(19(24)22-12-7-13-25-20(22)21-18)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,23H,7,12-13H2
InChIKeyNZFXXTBSVFDJPQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.62
Rot. Bonds3

About 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135439008) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135439008
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2ccccc2)c2ccccc2)c(O)nc2n1CCCS2
InChIInChI=1S/C20H18N2O2S/c23-18-17(19(24)22-12-7-13-25-20(22)21-18)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,23H,7,12-13H2
InChIKeyNZFXXTBSVFDJPQ-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135439008) is 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(C(c2ccccc2)c2ccccc2)c(O)nc2n1CCCS2.
What is the InChIKey of 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is NZFXXTBSVFDJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-18-17(19(24)22-12-7-13-25-20(22)21-18)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,23H,7,12-13H2.
What are the key properties of 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 350.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydryl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135439008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).